5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide

C25H26Cl2N4O3 — CID 77220303

About 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide

5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide (PubChem CID 77220303) has the molecular formula C25H26Cl2N4O3 and a molecular weight of 501.41 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide.

Molecular Properties

• Compound Name: 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide
• PubChem CID: 77220303
• Molecular Formula: C25H26Cl2N4O3
• Molecular Weight: 501.41 g/mol
• Exact Mass: 500.14
• IUPAC Name: 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide
• SMILES: COc1cc(C=CC(=O)NNC(=O)C(CCCCl)c2ccc(Cl)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H26Cl2N4O3/c1-17-15-31(16-28-17)22-11-5-18(14-23(22)34-2)6-12-24(32)29-30-25(33)21(4-3-13-26)19-7-9-20(27)10-8-19/h5-12,14-16,21H,3-4,13H2,1-2H3,(H,29,32)(H,30,33)
• InChIKey: QUYKMWDYGMJEGO-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.41
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide?

The IUPAC name of 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide (CID 77220303) is 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide.

What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide?

The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide is COc1cc(C=CC(=O)NNC(=O)C(CCCCl)c2ccc(Cl)cc2)ccc1-n1cnc(C)c1.

What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide?

The InChIKey is QUYKMWDYGMJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O3/c1-17-15-31(16-28-17)22-11-5-18(14-23(22)34-2)6-12-24(32)29-30-25(33)21(4-3-13-26)19-7-9-20(27)10-8-19/h5-12,14-16,21H,3-4,13H2,1-2H3,(H,29,32)(H,30,33).

What are the key properties of 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide?

5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide has a molecular weight of 501.41 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(4-chlorophenyl)-N'-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyl]pentanehydrazide is sourced from PubChem (CID 77220303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).